%chk=000259894.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259894

0 1
O 5.837985 -1.197349 0.955026
O -4.773618 0.347819 -0.235008
O -6.083488 -0.802144 1.204900
C 2.936689 0.691094 0.304854
C 0.720600 -0.424529 0.173919
C 1.576471 0.746611 -0.400962
C 3.668018 -0.636930 -0.065797
C -0.722821 -0.380890 -0.420887
C 1.424697 -1.782057 -0.027696
C 2.865001 -1.803548 0.519269
C 3.991908 1.786277 0.057092
C 5.064506 -0.375979 0.536910
C 5.314795 1.129934 0.504355
C -1.567485 -1.534055 0.183206
C -1.342995 0.971283 -0.053222
C 0.868890 2.060324 -0.235088
C 3.907880 -0.837576 -1.569570
C -0.715388 -0.494864 -1.955295
C -0.462147 2.148986 -0.112787
C -3.061841 -1.362429 -0.100177
C -2.627124 1.106793 0.316790
C -3.558053 -0.049128 0.507362
C -5.987380 -0.103502 0.222134
C -7.065226 0.408986 -0.669288
H 2.735807 0.682765 1.409400
H 0.620983 -0.255682 1.276839
H 1.721429 0.589486 -1.502431
H 1.434898 -2.042232 -1.104317
H 0.845058 -2.582241 0.470885
H 2.858733 -1.749751 1.624445
H 3.350290 -2.768166 0.275553
H 3.777156 2.700772 0.631897
H 4.029519 2.083676 -1.003998
H 5.633725 1.482614 1.501700
H 6.152143 1.367200 -0.173965
H -1.401708 -1.585858 1.277128
H -1.225689 -2.504198 -0.223842
H 1.501184 2.946456 -0.253133
H 4.433272 0.009183 -2.023996
H 4.505534 -1.739744 -1.752033
H 2.961189 -0.960036 -2.110387
H -1.738407 -0.492141 -2.352955
H -0.191573 0.347433 -2.420997
H -0.231433 -1.417960 -2.287873
H -0.956519 3.118750 -0.030428
H -3.253852 -1.360177 -1.192849
H -3.638050 -2.214986 0.307471
H -3.075623 2.079339 0.518977
H -3.838785 -0.167526 1.581345
H -6.670791 1.027233 -1.491500
H -7.781840 1.021452 -0.100004
H -7.631822 -0.423889 -1.113769


%chk=000259894-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259894

0 1
O 5.810183 -1.226353 1.233048
O -4.905431 0.423739 -0.191056
O -6.045613 -0.952871 1.313187
C 2.967759 0.705237 0.239902
C 0.729554 -0.417287 0.040974
C 1.618459 0.746837 -0.511708
C 3.709536 -0.649169 0.010635
C -0.726310 -0.361680 -0.557716
C 1.436160 -1.795044 -0.090213
C 2.850872 -1.808589 0.558549
C 4.059914 1.782088 0.002554
C 5.048402 -0.371984 0.721321
C 5.306700 1.153361 0.691470
C -1.598860 -1.513595 0.025034
C -1.334321 0.997839 -0.156453
C 0.901619 2.075687 -0.394173
C 4.101413 -0.912677 -1.480177
C -0.695851 -0.451801 -2.114873
C -0.449097 2.171008 -0.215853
C -3.110144 -1.307131 -0.225007
C -2.635504 1.139479 0.245931
C -3.590679 -0.003759 0.432108
C -6.060093 -0.142189 0.356612
C -7.299486 0.357114 -0.356265
H 2.723464 0.745829 1.326712
H 0.616241 -0.220162 1.131897
H 1.829058 0.562257 -1.589113
H 1.513429 -2.085118 -1.156309
H 0.824099 -2.574798 0.399533
H 2.752275 -1.699232 1.657362
H 3.346451 -2.781070 0.379094
H 3.795564 2.759514 0.441182
H 4.238437 1.942106 -1.077327
H 5.410993 1.499336 1.738188
H 6.267964 1.372757 0.192862
H -1.415446 -1.589067 1.117298
H -1.291748 -2.478937 -0.418918
H 1.508517 2.989121 -0.454608
H 4.704086 -0.093981 -1.912277
H 4.701225 -1.838816 -1.536166
H 3.211431 -1.044821 -2.118432
H -1.719657 -0.459691 -2.526771
H -0.176134 0.414367 -2.559689
H -0.187399 -1.374811 -2.449812
H -0.916856 3.158086 -0.096611
H -3.312214 -1.244666 -1.310056
H -3.690181 -2.159802 0.169885
H -3.018299 2.135118 0.509795
H -3.808774 -0.173359 1.507048
H -7.044701 1.080879 -1.143471
H -7.979312 0.825536 0.376410
H -7.836993 -0.499941 -0.798333


